CID 172385

69089-42-5

Structural Information

Molecular Formula
C24H54N2O
SMILES
CCCCCCCC(C)(C)C(C)(C)OCCC[N+](C)(C)CCC[N+](C)(C)C
InChI
InChI=1S/C24H54N2O/c1-11-12-13-14-15-18-23(2,3)24(4,5)27-22-17-21-26(9,10)20-16-19-25(6,7)8/h11-22H2,1-10H3/q+2
InChIKey
YYEIQJIMRNIIAY-UHFFFAOYSA-N
Compound name
dimethyl-[3-(trimethylazaniumyl)propyl]-[3-(2,3,3-trimethyldecan-2-yloxy)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.4236 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.43088 238.2
[M+Na]+ 409.41282 245.5
[M-H]- 385.41632 236.0
[M+NH4]+ 404.45742 241.3
[M+K]+ 425.38676 241.9
[M+H-H2O]+ 369.42086 222.7
[M+HCOO]- 431.42180 260.4
[M+CH3COO]- 445.43745 227.3
[M+Na-2H]- 407.39827 226.6
[M]+ 386.42305 241.2
[M]- 386.42415 241.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.